4-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(3-fluoro-4-methoxyphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C20H26FN5O3S MolecularWeight: 435.515543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)F

InChI

InChI=1S/C20H26FN5O3S/c1-29-18-6-5-16(13-17(18)21)30(27,28)26-11-9-25(10-12-26)20-14-19(22-15-23-20)24-7-3-2-4-8-24/h5-6,13-15H,2-4,7-12H2,1H3